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Apoptozole - ≥99%, high purity , CAS No.1054543-47-3

1 Citations

COA

Grade & Purity:

≥99%

Cas Number: 1054543-47-3
Molecular Weight: 625.56
PubChem CID: 24894064
PubChem SID: 504769898

In stock

Item Number

A345787

Grouped product items
SKU	Size	Availability	Price
A345787-5mg	5mg	3	$53.90
A345787-10mg	10mg	3	$93.90
A345787-25mg	25mg	2	$211.90
A345787-50mg	50mg	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$296.90
A345787-100mg	100mg	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$534.90

a cell-permeable imidazole compound that directly binds anti-apoptotic chaperone Hsc70

View related series

Amino Acid/Protein Metabolism (1836) Apoptosis (4276) Cell Cycle/DNA Damage (2602) DNA Damage (697) HSP (135) Metabolic Enzyme/Protease (4860)

Basic Description

Synonyms	CCG-270274 \| Apoptosis Activator VII, Apoptozole \| 4-[[2-[3,5-bis(trifluoromethyl)phenyl]-4,5-bis(4-methoxyphenyl)-1H-imidazol-1-yl]methyl]benzamide \| 1054543-47-3 \| UNII-WD0EH16QCD \| 4-((2-(3,5-bis(trifluoromethyl)phenyl)-4,5-bis(4-methoxyphenyl)-1H-imid
Specifications & Purity	≥99%
Biochemical and Physiological Mechanisms	Apoptozole induces caspase dependent apoptosis by blocking interaction of HSP70 with APAF-1, without affecting interactions of HSP70 with ASK1, JNK, BAX, and AIF. However, apoptozole may form aggregates under aqueous conditions that could interact with HS
Storage Temp	Store at -20°C
Shipped In	Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available.
Product Description	Apoptosis Activator VII, Apoptozole is a cell-permeable imidazole compound that directly binds anti-apoptotic chaperone Hsc70 and its inducible homologue Hsp70 (K\|d\|= 210 and 140 nM, respectively). Apoptozole is shown to effectively inhibit the proliferation of SK-OV-3, HCT-15, and A549 cancer cell lines (IC\|50\|= 220, 250 and 130 nM, respectively) and induce 90% apoptotic cell death in P19 embryonic carcinoma and A549 lung cancer cultures after 12 hours drug treatment (1 μM).

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Azoles
    - Subclass Imidazoles
      - Level5 Substituted imidazoles
        Level6 Phenylimidazoles

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Azoles
Subclass	Imidazoles
Intermediate Tree Nodes	Substituted imidazoles
Direct Parent	Phenylimidazoles
Alternative Parents	Trifluoromethylbenzenes 1,2,4,5-tetrasubstituted imidazoles Benzamides Phenoxy compounds Anisoles Methoxybenzenes Benzoyl derivatives Alkyl aryl ethers N-substituted imidazoles Heteroaromatic compounds Primary carboxylic acid amides Azacyclic compounds Hydrocarbon derivatives Organic oxides Alkyl fluorides Organofluorides Organonitrogen compounds
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	2-phenylimidazole - 5-phenylimidazole - 4-phenylimidazole - Trifluoromethylbenzene - 1,2,4,5-tetrasubstituted imidazole - Benzamide - Benzoic acid or derivatives - Anisole - Phenoxy compound - Benzoyl - Phenol ether - Methoxybenzene - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - N-substituted imidazole - Heteroaromatic compound - Primary carboxylic acid amide - Carboxamide group - Azacycle - Ether - Carboxylic acid derivative - Hydrocarbon derivative - Organohalogen compound - Alkyl fluoride - Organic oxygen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Alkyl halide - Organic oxide - Organic nitrogen compound - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as phenylimidazoles. These are polycyclic aromatic compounds containing a benzene ring linked to an imidazole ring through a CC or CN bond.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

Pubchem Sid	504769898
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504769898
IUPAC Name	4-[[2-[3,5-bis(trifluoromethyl)phenyl]-4,5-bis(4-methoxyphenyl)imidazol-1-yl]methyl]benzamide
INCHI	InChI=1S/C33H25F6N3O3/c1-44-26-11-7-20(8-12-26)28-29(21-9-13-27(45-2)14-10-21)42(18-19-3-5-22(6-4-19)30(40)43)31(41-28)23-15-24(32(34,35)36)17-25(16-23)33(37,38)39/h3-17H,18H2,1-2H3,(H2,40,43)
InChIKey	ZIMMTPFXOMAJTQ-UHFFFAOYSA-N
Smiles	COC1=CC=C(C=C1)C2=C(N(C(=N2)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)CC4=CC=C(C=C4)C(=O)N)C5=CC=C(C=C5)OC
Isomeric SMILES	COC1=CC=C(C=C1)C2=C(N(C(=N2)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)CC4=CC=C(C=C4)C(=O)N)C5=CC=C(C=C5)OC
Molecular Weight	625.56
Reaxy-Rn	18476007
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=18476007&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

5 results found

Lot Number	Certificate Type	Date	Item
K2217138	Certificate of Analysis	Aug 18, 2022	A345787
K2217137	Certificate of Analysis	Aug 18, 2022	A345787
K2217136	Certificate of Analysis	Aug 18, 2022	A345787
K2217135	Certificate of Analysis	Aug 18, 2022	A345787
K2217139	Certificate of Analysis	Aug 18, 2022	A345787

Chemical and Physical Properties

Solubility	Soluble in DMSO (50 mg/ml), and ethanol (5 mg/ml).
Refractive Index	n20D~1.57 (Predicted)
Melt Point(°C)	223-225° C
Molecular Weight	625.600 g/mol
XLogP3	7.200
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	8
Exact Mass	625.18 Da
Monoisotopic Mass	625.18 Da
Topological Polar Surface Area	79.400 Å²
Heavy Atom Count	45
Formal Charge	0
Complexity	936.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

Alternative Products

Citations of This Product

How to Cite Aladdin Scientific Products?

1. Wei Jiang, Zuoxiu Tie, Chi Yu, Yu Chen, Dan Liu, Bin Li. (2023) An engineered nanoplatform inhibiting energy metabolism and lysosomal activity of tumor cells to multiply cisplatin-based chemotherapy. BIOMATERIALS, 302 (122354).

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